Cas no 10059-13-9 (2-Undecanethiol,2-methyl-)
2-Undecanethiol,2-methyl- structure
Product Name:2-Undecanethiol,2-methyl-
2-Undecanethiol,2-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 2-Undecanethiol,2-methyl-
- 2-methylundecane-2-thiol
- 1,1-Dimethyl-decyl-mercaptan
- 2-Methyl-2-undecanethiol
- 2-Methylundecyl-2-thiol
- tertiary dodecyl mercaptan
- SCHEMBL564605
- 2-Undecanethiol, 2-methyl-
- 2-methyl-undecane-2-thiol
- SCHEMBL21128
- DTXSID00143406
- 1,1-Dimethyldecyl hydrosulfide #
- FRQQKWGDKVGLFI-UHFFFAOYSA-N
- Q-201800
- NS00022992
- 10059-13-9
- E76524
- tert-Dodecyl mercaptane
- EINECS 233-191-6
-
- Inchi： 1S/C12H26S/c1-4-5-6-7-8-9-10-11-12(2,3)13/h13H,4-11H2,1-3H3
- InChI Key： FRQQKWGDKVGLFI-UHFFFAOYSA-N
- SMILES： SC(C)(C)CCCCCCCCC
Computed Properties
- Exact Mass: 202.17568
- Monoisotopic Mass: 202.17552200g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 8
- Complexity: 108
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 5.6
- Topological Polar Surface Area: 1?2
Experimental Properties
- Density: 0.8429 (estimate)
- Melting Point: -10.8°C (estimate)
- Boiling Point: 270.55°C (estimate)
- Refractive Index: 1.4503 (estimate)
- PSA: 0
2-Undecanethiol,2-methyl- Related Literature
-
Tímea Kaszás,Marietta Tóth,László Somsák New J. Chem. 2017 41 13871
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